5-Bromo-1-methyl-1H-imidazole
CAS No.:
1003-21-0
M. Wt:
161.000
M. Fa:
C4H5BrN2
InChI Key:
HATLLUIOEIXWGD-UHFFFAOYSA-N
Appearance:
Pale-yellow Solid
Names and Identifiers of 5-Bromo-1-methyl-1H-imidazole
CAS Number |
1003-21-0 |
|---|---|
EC Number |
629-338-2 |
MDL Number |
MFCD01632218 |
IUPAC Name |
5-bromo-1-methylimidazole |
InChI |
InChI=1S/C4H5BrN2/c1-7-3-6-2-4(7)5/h2-3H,1H3 |
InChIKey |
HATLLUIOEIXWGD-UHFFFAOYSA-N |
Canonical SMILES |
CN1C=NC=C1Br |
UNSPSC Code |
12352100 |
Physical and chemical properties of 5-Bromo-1-methyl-1H-imidazole
Acidity coefficient |
5.25±0.10(Predicted) |
|---|---|
Boiling Point |
271.7±13.0 °C at 760 mmHg |
Density |
1.7±0.1 g/cm3 |
Exact Mass |
159.963608 |
Flash Point |
118.1±19.8 °C |
Index of Refraction |
1.606 |
LogP |
0.58 |
Melting Point |
40-44 °C(lit.) |
Molecular Formula |
C4H5BrN2 |
Molecular Weight |
161.000 |
PSA |
17.82000 |
Storage condition |
Keep Cold |
Vapour Pressure |
0.0±0.5 mmHg at 25°C |
Safety Information of 5-Bromo-1-methyl-1H-imidazole
Applications of 5-Bromo-1-methyl-1H-imidazole
5-Bromo-1-methyl-1H-imidazole finds applications across several domains:
- Organic Synthesis: It serves as a building block for synthesizing more complex organic molecules.
- Pharmaceuticals: Due to its biological activity, it is investigated as a potential drug candidate for treating infections and cancer.
- Coordination Chemistry: Its ability to form complexes with metals makes it valuable in catalysis and materials science.
Interaction Studies of 5-Bromo-1-methyl-1H-imidazole
Studies on the interactions of 5-Bromo-1-methyl-1H-imidazole with biomolecules have shown:
- Protein Binding: Research indicates that this compound can bind to specific proteins, potentially altering their function.
- Receptor Interaction: Investigations into its interaction with various receptors are ongoing, aiming to understand its pharmacological effects better.
Several compounds share structural similarities with 5-Bromo-1-methyl-1H-imidazole. Here are some notable examples:
| Compound Name | Structure Type | Key Differences |
|---|---|---|
| 1-Methylimidazole | Imidazole | Lacks bromine; primarily used as a base in synthesis. |
| 2-Methylimidazole | Imidazole | Different methyl substitution; distinct reactivity patterns. |
| 4-Bromo-1-methylimidazole | Imidazole | Bromine at the 4-position; different biological activity profile. |
| 5-Chloro-1-methylimidazole | Imidazole | Chlorine instead of bromine; varied chemical properties. |
Biological Activity of 5-Bromo-1-methyl-1H-imidazole
Research indicates that 5-Bromo-1-methyl-1H-imidazole exhibits significant biological activities. It has been studied for its potential as:
- Antimicrobial Agent: The compound shows inhibitory effects against certain bacteria and fungi.
- Anticancer Properties: Preliminary studies suggest that it may induce apoptosis in cancer cells, although further investigation is required to elucidate its mechanisms.
- Enzyme Inhibitor: It has been identified as a potential inhibitor of specific enzymes, which could be beneficial in drug development.
Physical sample testing spectrum (NMR) of 5-Bromo-1-methyl-1H-imidazole
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